7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one

C14H20N2O — CID 82172449

IUPAC7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCCCC(N)c1cc(C)cc2c1NC(=O)C2C
InChIInChI=1S/C14H20N2O/c1-4-5-12(15)11-7-8(2)6-10-9(3)14(17)16-13(10)11/h6-7,9,12H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyXGOQCGNKKJZAPR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.85
Rot. Bonds3

About 7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one

7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82172449) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one
PubChem CID82172449
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one
SMILESCCCC(N)c1cc(C)cc2c1NC(=O)C2C
InChIInChI=1S/C14H20N2O/c1-4-5-12(15)11-7-8(2)6-10-9(3)14(17)16-13(10)11/h6-7,9,12H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyXGOQCGNKKJZAPR-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one (CID 82172449) is 7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one is CCCC(N)c1cc(C)cc2c1NC(=O)C2C.
What is the InChIKey of 7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is XGOQCGNKKJZAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-5-12(15)11-7-8(2)6-10-9(3)14(17)16-13(10)11/h6-7,9,12H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one?
7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminobutyl)-3,5-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).